3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

C9H14N2O — CID 83845862

IUPAC3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESCC(C)Cc1onc2c1CNC2
InChIInChI=1S/C9H14N2O/c1-6(2)3-9-7-4-10-5-8(7)11-12-9/h6,10H,3-5H2,1-2H3
InChIKeyXGFJISTVIPNHCH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.48
Rot. Bonds2

About 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (PubChem CID 83845862) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
PubChem CID83845862
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESCC(C)Cc1onc2c1CNC2
InChIInChI=1S/C9H14N2O/c1-6(2)3-9-7-4-10-5-8(7)11-12-9/h6,10H,3-5H2,1-2H3
InChIKeyXGFJISTVIPNHCH-UHFFFAOYSA-N
XLogP1.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (CID 83845862) is 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is CC(C)Cc1onc2c1CNC2.
What is the InChIKey of 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The InChIKey is XGFJISTVIPNHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)3-9-7-4-10-5-8(7)11-12-9/h6,10H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole has a molecular weight of 166.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 83845862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).